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2General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps
B. Brown, J. Mendenhall, A. Geanes, and J. Meiler. Journal of Chemical Information and Modeling, 61 (2): 603â620 (January 2021)
18 hours ago by @scadsfct
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1Application of machine learning approaches on quantitative structure activity relationships
M. Butkiewicz, R. Mueller, D. Selic, E. Dawson, and J. Meiler. 2009 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, (March 2009)
18 hours ago by @scadsfct
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1GPU-accelerated machine learning techniques enable QSAR modeling of large HTS data
E. Lowe, M. Butkiewicz, N. Woetzel, and J. Meiler. 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), (May 2012)
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1Bcl&#x2237;ChemInfo - Qualitative analysis of machine learning models for activation of HSD involved in Alzheimerâs Disease
M. Butkiewicz, E. Lowe, and J. Meiler. 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), (May 2012)
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1Interpretable deep-learning pKa prediction for small molecule drugs via atomic sensitivity analysis
J. DeCorte, B. Brown, and J. Meiler. (June 2024)
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PUMA

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2General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps

1Application of machine learning approaches on quantitative structure activity relationships

1GPU-accelerated machine learning techniques enable QSAR modeling of large HTS data

1Bcl&#x2237;ChemInfo - Qualitative analysis of machine learning models for activation of HSD involved in Alzheimerâs Disease

1Interpretable deep-learning pKa prediction for small molecule drugs via atomic sensitivity analysis

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PUMA

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publications (hide)1489 displayallpublications onlypublications per page5102050100 sort byadded attitleauthorpublication dateentry typehelp for advanced sorting... RSSBibTeXRDFmore...

2General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps

1Application of machine learning approaches on quantitative structure activity relationships

1GPU-accelerated machine learning techniques enable QSAR modeling of large HTS data

1Bcl&amp;#x2237;ChemInfo - Qualitative analysis of machine learning models for activation of HSD involved in Alzheimerâs Disease

1Interpretable deep-learning pKa prediction for small molecule drugs via atomic sensitivity analysis

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1Bcl∷ChemInfo - Qualitative analysis of machine learning models for activation of HSD involved in Alzheimerâs Disease